Two polymorphic forms （forms I and IV） of antidepressant bupropion hydrobro- mides were prepared and characterized by powder X-ray single-crystal diffractometer. Lots of commercial substances may consist of form I. ...Two polymorphic forms （forms I and IV） of antidepressant bupropion hydrobro- mides were prepared and characterized by powder X-ray single-crystal diffractometer. Lots of commercial substances may consist of form I. Form I crystallizes in the triclinic system, space group P1^- with Z= 2, a = 7.6943（8）, b = 7.9347（9）, c = 13.8558（15） A, a = 85.971（3）, β = 85.619（2）, γ = 65.974（3）°, V = 769.66（14） A^3, Dc= 1.384 g/cm^3, formula C13H19C1NOBr, F（000） = 328, p = 2.83 mm^-1, the final R = 0.0579 and wR = 0.1282 for 1756 observed reflections with I 〉 2σ（I）. Another polymorphic form, IV, belongs to the orthorhombic system, space group Pbca with a = 8.6365（3）, b = 12.4167（4）, c = 27.7299（9） A, Z = 8, V= 2973.67（17） A^3, Dc= 1.432 g/cm^3, formula C13H19CINOBr, F（000） = 1312,μ = 2.93 mm^-1, the final R = 0.044 and wR = 0.1093 for 2018 observed reflections with I 〉 2σ（I）. In the crystal structure of the two polymorphic forms, expected proton transfer from HBr to amino group of bupropion molecule occurs and intramolecular and intermolecular hydrogen bonds N-H…Br are formed. These interactions result in hydrogen-bond dimers in these two forms. The bupropion molecule adopts different conformations in the two investigated solid state modifications.展开更多
基金supported by the Natural Science Foundation of Zhejiang Province (J200801)
文摘Two polymorphic forms （forms I and IV） of antidepressant bupropion hydrobro- mides were prepared and characterized by powder X-ray single-crystal diffractometer. Lots of commercial substances may consist of form I. Form I crystallizes in the triclinic system, space group P1^- with Z= 2, a = 7.6943（8）, b = 7.9347（9）, c = 13.8558（15） A, a = 85.971（3）, β = 85.619（2）, γ = 65.974（3）°, V = 769.66（14） A^3, Dc= 1.384 g/cm^3, formula C13H19C1NOBr, F（000） = 328, p = 2.83 mm^-1, the final R = 0.0579 and wR = 0.1282 for 1756 observed reflections with I 〉 2σ（I）. Another polymorphic form, IV, belongs to the orthorhombic system, space group Pbca with a = 8.6365（3）, b = 12.4167（4）, c = 27.7299（9） A, Z = 8, V= 2973.67（17） A^3, Dc= 1.432 g/cm^3, formula C13H19CINOBr, F（000） = 1312,μ = 2.93 mm^-1, the final R = 0.044 and wR = 0.1093 for 2018 observed reflections with I 〉 2σ（I）. In the crystal structure of the two polymorphic forms, expected proton transfer from HBr to amino group of bupropion molecule occurs and intramolecular and intermolecular hydrogen bonds N-H…Br are formed. These interactions result in hydrogen-bond dimers in these two forms. The bupropion molecule adopts different conformations in the two investigated solid state modifications.
